Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM50128150
Substrate
n/a
Meas. Tech.
ChEMBL_448557 (CHEMBL897706)
IC50
400±n/a nM
Citation
 Castilho, MS; Guido, RV; Andricopulo, AD 2D Quantitative structure-activity relationship studies on a series of cholesteryl ester transfer protein inhibitors. Bioorg Med Chem 15:6242-52 (2007) [PubMed]  Article 
Target
Name:
Cholesteryl ester transfer protein
Synonyms:
CETP | CETP_HUMAN | Cholesteryl ester transfer protein (CETP) | Lipid transfer protein I
Type:
Enzyme
Mol. Mass.:
54751.53
Organism:
Homo sapiens (Human)
Description:
P11597
Residue:
493
Sequence:
MLAATVLTLALLGNAHACSKGTSHEAGIVCRITKPALLVLNHETAKVIQTAFQRASYPDITGEKAMMLLGQVKYGLHNIQISHLSIASSQVELVEAKSIDVSIQNVSVVFKGTLKYGYTTAWWLGIDQSIDFEIDSAIDLQINTQLTCDSGRVRTDAPDCYLSFHKLLLHLQGEREPGWIKQLFTNFISFTLKLVLKGQICKEINVISNIMADFVQTRAASILSDGDIGVDISLTGDPVITASYLESHHKGHFIYKNVSEDLPLPTFSPTLLGDSRMLYFWFSERVFHSLAKVAFQDGRLMLSLMGDEFKAVLETWGFNTNQEIFQEVVGGFPSQAQVTVHCLKMPKISCQNKGVVVNSSVMVKFLFPRPDQQHSVAYTFEEDIVTTVQASYSKKKLFLSLLDFQITPKTVSNLTESSSESVQSFLQSMITAVGIPEVMSRLEVVFTALMNSKGVSLFDIINPEIITRDGFLLLQMDFGFPEHLLVDFLQSLS
  
Inhibitor
Name:
BDBM50128150
Synonyms:
3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(cyclopentyloxy)phenyl)amino)-1,1,1-trifluoropropan-2-ol | 3-((3-(cyclopentyloxy)phenyl)(3-(1,1,2,2-tetrafluoroethoxy)benzyl)amino)-1,1,1-trifluoropropan-2-ol | 3-{(3-Cyclopentyloxy-phenyl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-benzyl]-amino}-1,1,1-trifluoro-propan-2-ol | CHEMBL303833
Type:
Small organic molecule
Emp. Form.:
C23H24F7NO3
Mol. Mass.:
495.4304
SMILES:
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OC2CCCC2)c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: